[1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone

C19H19ClN2O — CID 11716851

IUPAC[1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccncc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2O/c20-17-3-1-16(2-4-17)19(8-9-19)18(23)22-12-7-15(13-22)14-5-10-21-11-6-14/h1-6,10-11,15H,7-9,12-13H2
InChIKeyYSQSWUBIMQRVHG-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.78
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone

[1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 11716851) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID11716851
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccncc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2O/c20-17-3-1-16(2-4-17)19(8-9-19)18(23)22-12-7-15(13-22)14-5-10-21-11-6-14/h1-6,10-11,15H,7-9,12-13H2
InChIKeyYSQSWUBIMQRVHG-UHFFFAOYSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 11716851) is [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(N1CCC(c2ccncc2)C1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is YSQSWUBIMQRVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-17-3-1-16(2-4-17)19(8-9-19)18(23)22-12-7-15(13-22)14-5-10-21-11-6-14/h1-6,10-11,15H,7-9,12-13H2.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
[1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 326.83 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 11716851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).